N-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide

C17H23F4N3O2 — CID 119592111

IUPACN-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
SMILESNCC(NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)C1CCCCC1
InChIInChI=1S/C17H23F4N3O2/c18-16(19)17(20,21)10-26-14-7-6-12(9-23-14)15(25)24-13(8-22)11-4-2-1-3-5-11/h6-7,9,11,13,16H,1-5,8,10,22H2,(H,24,25)
InChIKeyOXFJAWWFWQCIQW-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.00
Rot. Bonds8

About N-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide

N-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide (PubChem CID 119592111) has the molecular formula C17H23F4N3O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
PubChem CID119592111
Molecular FormulaC17H23F4N3O2
Molecular Weight377.38 g/mol
Exact Mass377.17
IUPAC NameN-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
SMILESNCC(NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)C1CCCCC1
InChIInChI=1S/C17H23F4N3O2/c18-16(19)17(20,21)10-26-14-7-6-12(9-23-14)15(25)24-13(8-22)11-4-2-1-3-5-11/h6-7,9,11,13,16H,1-5,8,10,22H2,(H,24,25)
InChIKeyOXFJAWWFWQCIQW-UHFFFAOYSA-N
XLogP3.00
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid
CID 120521258
N-[1-(aminomethyl)cyclopentyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride
CID 119568471
N-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 119572061
N-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 119514748
N-(2-methylpiperidin-3-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 120575234
N-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride
CID 119525133
N-(2-amino-1-cyclohexylethyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119589638
1-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119350550
N-(2-amino-1-cyclopropylethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide;dihydrochloride
CID 119616797
N-(2-amino-1-cyclopentylethyl)-4-(difluoromethoxy)benzamide
CID 106737206
N-(2-amino-1-cyclopentylethyl)pyridine-3-carboxamide
CID 106737538
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide (CID 119592111) is N-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide is NCC(NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide?
The InChIKey is OXFJAWWFWQCIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F4N3O2/c18-16(19)17(20,21)10-26-14-7-6-12(9-23-14)15(25)24-13(8-22)11-4-2-1-3-5-11/h6-7,9,11,13,16H,1-5,8,10,22H2,(H,24,25).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide?
N-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 119592111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).